1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine

C31H32F2N2O — CID 10838642

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CCc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C31H32F2N2O/c32-28-12-8-26(9-13-28)31(27-10-14-29(33)15-11-27)36-23-22-35-20-18-34(19-21-35)17-16-25-6-3-5-24-4-1-2-7-30(24)25/h1-15,31H,16-23H2
InChIKeyPDIYHRCAHJQIGF-UHFFFAOYSA-N
MW486.61 g/mol
LogP6.08
Rot. Bonds9

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine (PubChem CID 10838642) has the molecular formula C31H32F2N2O and a molecular weight of 486.61 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine
PubChem CID10838642
Molecular FormulaC31H32F2N2O
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CCc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C31H32F2N2O/c32-28-12-8-26(9-13-28)31(27-10-14-29(33)15-11-27)36-23-22-35-20-18-34(19-21-35)17-16-25-6-3-5-24-4-1-2-7-30(24)25/h1-15,31H,16-23H2
InChIKeyPDIYHRCAHJQIGF-UHFFFAOYSA-N
XLogP6.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 12017337
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;sulfuric acid
CID 10239703
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
CID 53347186
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024525
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride
CID 18348689
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;but-2-enedioic acid
CID 70573507
1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
CID 63519540

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine (CID 10838642) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine is Fc1ccc(C(OCCN2CCN(CCc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine?
The InChIKey is PDIYHRCAHJQIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N2O/c32-28-12-8-26(9-13-28)31(27-10-14-29(33)15-11-27)36-23-22-35-20-18-34(19-21-35)17-16-25-6-3-5-24-4-1-2-7-30(24)25/h1-15,31H,16-23H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine has a molecular weight of 486.61 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine is sourced from PubChem (CID 10838642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).